Related papers: Magnetic ground state of supported monatomic Fe ch…
Using spin-polarized scanning tunneling microscopy and density functional theory we demonstrate the occurrence of a novel type of noncollinear spin structure in Rh/Fe atomic bilayers on Ir(111). We find that higher-order exchange…
We present detailed investigations of the magnetic properties of an Fe monolayer on W and Ta (110) surfaces based on the ab initio screened Korringa-Kohn-Rostoker method. By calculating tensorial exchange coupling coefficients, the ground…
We calculate the effect of spin waves on the properties of finite size spin chains with a chiral spin ground state observed on bi-atomic Fe chains deposited on Iridium(001). The system is described with a Heisenberg model supplemented with…
By combining ab-initio electron theory and statistical mechanics, the physical properties of the ternary intermetallic system Ni-Fe-Al in the ground state and at finite temperatures were investigated. The Ni-Fe-Al system is not only of high…
Using first-principles calculations, we demonstrate that the magnetic exchange interaction and the magnetocrystalline anisotropy of biatomic Fe chains grown in the trenches of the 5x1 reconstructed Ir(001) surface depend sensitively on the…
We have investigated single crystals and polycrystals from the series Nb$_{1-y}$Fe$_{2+y}$, $-0.004 \leq y \leq 0.018$ by electron spin resonance, muon spin relaxation and M\"ossbauer spectroscopy. Our data establish that at lowest…
We calculate the structural, electronic, and magnetic properties of MnO from first principles, using the full-potential linearized augmented planewave method, with both local-density and generalized-gradient approximations to exchange and…
Using linear-response density-functional theory, we obtain the magnetic interactions in the several iron pnictides. The ground state has been found to be non-collinear in FeSe, with a large continuum of nearly degenerate states lying very…
The structural, electronic and magnetic properties of small ${\rm Fe}_m {\rm Rh}_n$ clusters having $N = m+n \leq 8$ atoms are studied in the framework of a generalized-gradient approximation to density-functional theory. The correlation…
Since 2008, many new families of iron-based high temperature (high-$T_c$) superconductors have been discovered \cite{Hosono,ChenXH,FeTe,ChenXL}. Unlike all parent compounds of cuprates that share a common antiferromagnetically (AF) ordered…
At low temperatures, weakly coupled spin chains develop a magnetic order that reflects the character of gapless spin fluctuations along the chains. Using nuclear magnetic resonance, we identify and characterize two ordered states in the…
Using spin-polarized scanning tunneling microscopy and density functional theory, we have studied the magnetic properties of Pd/Fe atomic bilayers on Re(0001). Two kinds of magnetic ground states are discovered due to different types of…
We present a detailed theoretical investigation on the magnetic properties of small single-layered Fe, Co and Ni clusters deposited on Ir(111), Pt(111) and Au(111). For this a fully relativistic {\em ab-initio} scheme based on density…
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
We propose a minimal model describing magnetic behavior of Fe-based superconductors. The key ingredient of the model is a dynamical mixing of quasi-degenerate spin states of Fe2+ ion by intersite electron hoppings, resulting in an effective…
First-order field-induced spin reorientation transitions in multisublattice intermetallic compounds are considered within an anisotropic Heisenberg model. Unlike previous works, only leading-order anisotropy constants of the sublattices are…
The spin-$1$ orthogonal dimer chain is investigated using the Density Matrix Renormalization Group (DMRG) algorithm. A transformation to a basis that uses the local eigenstates of the orthogonal dimers, while retaining the local spin states…
Magnetic chains on superconductors hosting Majorna Zero Modes (MZMs) attracted high interest due to their possible applications in fault-tolerant quantum computing. However, this is hindered by the lack of a detailed, quantitative…
In this letter, we apply the mixed-bond spin-1 Ising model to the study of the magnetic properties of Fe-Mn alloys in the $\alpha$ phase by employing the effective field theory (EFT). Here, we suggest a new approach to the ferromagnetic…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…